CID 135437908

102688-92-6

Structural Information

Molecular Formula
C19H26N4OS
SMILES
CC1(CC2=C(C(=NC3CCCCC3)C1)SC4=NC=NC(=C4N2)OC)C
InChI
InChI=1S/C19H26N4OS/c1-19(2)9-13(22-12-7-5-4-6-8-12)16-14(10-19)23-15-17(24-3)20-11-21-18(15)25-16/h11-12,23H,4-10H2,1-3H3
InChIKey
QNHQNNCKVSDLTO-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-methoxy-7,7-dimethyl-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-9-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18274 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19002 183.7
[M+Na]+ 381.17196 189.0
[M-H]- 357.17546 185.9
[M+NH4]+ 376.21656 196.3
[M+K]+ 397.14590 182.9
[M+H-H2O]+ 341.18000 173.3
[M+HCOO]- 403.18094 189.7
[M+CH3COO]- 417.19659 190.9
[M+Na-2H]- 379.15741 186.3
[M]+ 358.18219 179.3
[M]- 358.18329 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.